Information card for entry 1566369

Structure parameters

• Formula: C19 H24 O3
• Calculated formula: C19 H24 O3
• SMILES: OC[C@H](c1cc(c(cc1)CO)C)C[C@H](O)c1ccc(cc1)C
• Title of publication: Asymmetric β-arylation of cyclopropanols enabled by photoredox and nickel dual catalysis.
• Authors of publication: Wang, Jianhua; Li, Xiaoxun
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 3020 - 3026
• a: 9.16551 ± 0.00016 Å
• b: 10.4822 ± 0.0002 Å
• c: 17.5734 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1688.36 ± 0.06 ų
• Cell temperature: 293 ± 0.02 K
• Ambient diffraction temperature: 293 ± 0.02 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No